8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile

C37H24NO2P — CID 170177883

IUPAC8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1ccc(-c3ccc(-c4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)cc3)cc12
InChIInChI=1S/C37H24NO2P/c38-25-26-14-20-34-35-24-30(19-21-36(35)40-37(34)22-26)28-17-15-27(16-18-28)29-8-7-13-33(23-29)41(39,31-9-3-1-4-10-31)32-11-5-2-6-12-32/h1-24H
InChIKeyCDHZGSVEMJACEW-UHFFFAOYSA-N
MW545.58 g/mol
LogP8.43
Rot. Bonds5

About 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile

8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile (PubChem CID 170177883) has the molecular formula C37H24NO2P and a molecular weight of 545.58 g/mol. Its IUPAC name is 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile.

Molecular Properties

Compound Name8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile
PubChem CID170177883
Molecular FormulaC37H24NO2P
Molecular Weight545.58 g/mol
Exact Mass545.15
IUPAC Name8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile
SMILESN#Cc1ccc2c(c1)oc1ccc(-c3ccc(-c4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)cc3)cc12
InChIInChI=1S/C37H24NO2P/c38-25-26-14-20-34-35-24-30(19-21-36(35)40-37(34)22-26)28-17-15-27(16-18-28)29-8-7-13-33(23-29)41(39,31-9-3-1-4-10-31)32-11-5-2-6-12-32/h1-24H
InChIKeyCDHZGSVEMJACEW-UHFFFAOYSA-N
XLogP8.43
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.58
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

7-[3-(4-cyanophenyl)-5-(4-phenylphenyl)phenyl]dibenzofuran-3-carbonitrile
CID 176994445
4-[16-(4-cyanophenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl]benzonitrile
CID 70854772
4-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)phenyl]benzonitrile
CID 70847349
4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzonitrile
CID 139522713
8-pyridin-2-yldibenzofuran-3-carbonitrile
CID 155042702
7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-carbonitrile
CID 139522762
6-(4-diphenylphosphorylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138650767
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
4-[4-(3-dibenzofuran-2-yl-5,6-diphenylpyrazin-2-yl)phenyl]benzonitrile
CID 156509421
2-(8-phenyldibenzofuran-2-yl)pyridine-4-carbonitrile
CID 118397985
5-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]benzene-1,3-dicarbonitrile
CID 146354582

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile?
The IUPAC name of 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile (CID 170177883) is 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile.
What is the SMILES notation for 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile?
The canonical SMILES for 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile is N#Cc1ccc2c(c1)oc1ccc(-c3ccc(-c4cccc(P(=O)(c5ccccc5)c5ccccc5)c4)cc3)cc12.
What is the InChIKey of 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile?
The InChIKey is CDHZGSVEMJACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24NO2P/c38-25-26-14-20-34-35-24-30(19-21-36(35)40-37(34)22-26)28-17-15-27(16-18-28)29-8-7-13-33(23-29)41(39,31-9-3-1-4-10-31)32-11-5-2-6-12-32/h1-24H.
What are the key properties of 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile?
8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile has a molecular weight of 545.58 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3-diphenylphosphorylphenyl)phenyl]dibenzofuran-3-carbonitrile is sourced from PubChem (CID 170177883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).